5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide

C24H30N4O3 — CID 73437676

IUPAC5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NCCCN3CCN(c4ccccc4OC)CC3)cc2c1
InChIInChI=1S/C24H30N4O3/c1-30-19-8-9-20-18(16-19)17-21(26-20)24(29)25-10-5-11-27-12-14-28(15-13-27)22-6-3-4-7-23(22)31-2/h3-4,6-9,16-17,26H,5,10-15H2,1-2H3,(H,25,29)
InChIKeyKFVKNXBBOWVJKI-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.13
Rot. Bonds8

About 5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide

5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide (PubChem CID 73437676) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide
PubChem CID73437676
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NCCCN3CCN(c4ccccc4OC)CC3)cc2c1
InChIInChI=1S/C24H30N4O3/c1-30-19-8-9-20-18(16-19)17-21(26-20)24(29)25-10-5-11-27-12-14-28(15-13-27)22-6-3-4-7-23(22)31-2/h3-4,6-9,16-17,26H,5,10-15H2,1-2H3,(H,25,29)
InChIKeyKFVKNXBBOWVJKI-UHFFFAOYSA-N
XLogP3.13
TPSA69.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide (CID 73437676) is 5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)NCCCN3CCN(c4ccccc4OC)CC3)cc2c1.
What is the InChIKey of 5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide?
The InChIKey is KFVKNXBBOWVJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-30-19-8-9-20-18(16-19)17-21(26-20)24(29)25-10-5-11-27-12-14-28(15-13-27)22-6-3-4-7-23(22)31-2/h3-4,6-9,16-17,26H,5,10-15H2,1-2H3,(H,25,29).
What are the key properties of 5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide?
5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 73437676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).